SCHEMBL17162014

SCHEMBL17162014

CC(C)n1ccc2c(CO)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDR P35968 2/20 0.33
▸ TEK Q02763 2/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ ACACB O00763 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15687434 0.80 LMNA (0.41) KDM4ELMNATP53MAPTTSHR
SCHEMBL6909950 0.79 KDM4E (0.46) KDM4ELMNATP53MAPTTSHR
SCHEMBL6910469 0.77 MAPT (0.44) KDM4ELMNATP53MAPTTSHR
SCHEMBL23107319 0.75 CCR1 (0.42) KDM4EHTTL3MBTL1MAP4K1PDE4A
SCHEMBL12913570 0.74 PDE4A (0.31) MAP4K1PDE4APDE4BPDE4CPDE4D
SCHEMBL18510392 0.74 ENPP3 (0.42) KDRPDE4APDE4BPDE4CPDE4D
SCHEMBL13482934 0.74 NCF1 (0.37) KDRCDK1CCNB1
SCHEMBL20209705 0.71 ENPP3 (0.46) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL22133201 0.71 SLC40A1 (0.38) MAP4K1
SCHEMBL15079232 0.71 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003169-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient 株式会社LG化学 2019-07-12 — — CN disclosed
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEM, LTD. (KR) 2015-10-15 — — US disclosed
CN-104837816-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient LG LIFE SCIENCES LTD 2015-08-12 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT GPR119, GPR65, GPR55 KDM4E 3180/4885LMNA 3776/4885TP53 4498/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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